3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide

C23H21N3O2S — CID 119106294

IUPAC3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
SMILESCOc1ccc2ccccc2c1CCC(=O)NCc1nccnc1-c1cccs1
InChIInChI=1S/C23H21N3O2S/c1-28-20-10-8-16-5-2-3-6-17(16)18(20)9-11-22(27)26-15-19-23(25-13-12-24-19)21-7-4-14-29-21/h2-8,10,12-14H,9,11,15H2,1H3,(H,26,27)
InChIKeyDJMPJBRFWVGCGY-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.62
Rot. Bonds7

About 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide

3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide (PubChem CID 119106294) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
PubChem CID119106294
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
SMILESCOc1ccc2ccccc2c1CCC(=O)NCc1nccnc1-c1cccs1
InChIInChI=1S/C23H21N3O2S/c1-28-20-10-8-16-5-2-3-6-17(16)18(20)9-11-22(27)26-15-19-23(25-13-12-24-19)21-7-4-14-29-21/h2-8,10,12-14H,9,11,15H2,1H3,(H,26,27)
InChIKeyDJMPJBRFWVGCGY-UHFFFAOYSA-N
XLogP4.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163123
3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
CID 131704068
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
2-[3-(2-methoxynaphthalen-1-yl)propanoylamino]propanedioic acid
CID 67611600
2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
CID 122163097
4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
CID 119106291
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
1-(2,6-difluorophenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163125
4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
CID 120559869
3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883088
3-(4-methylsulfanylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 91625780

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide (CID 119106294) is 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide is COc1ccc2ccccc2c1CCC(=O)NCc1nccnc1-c1cccs1.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide?
The InChIKey is DJMPJBRFWVGCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-28-20-10-8-16-5-2-3-6-17(16)18(20)9-11-22(27)26-15-19-23(25-13-12-24-19)21-7-4-14-29-21/h2-8,10,12-14H,9,11,15H2,1H3,(H,26,27).
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide?
3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide has a molecular weight of 403.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 119106294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).